Chemical Properties of ENT-337 (CAS 6280-99-5)

InChI

InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3

InChI Key

PDSCSYLDRHAHOX-UHFFFAOYSA-N

Formula

C12H22O5

SMILES

CCCCOC(=O)CC(O)C(=O)OCCCC

Molecular Weight¹

246.30

CAS

6280-99-5

Other Names

• Malic acid, dibutyl ester, (.+/-.)-
• Butanedioic acid, hydroxy-, dibutyl ester, (.+/-.)-
• Dibutyl malate
• DL-Malic acid, di-n-butyl ester
• NSC 6194
• dibutyl (±)-malate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[304.91; 673.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.64070e+01
Coefficient B			1.07414e+00
Coefficient C			-4.73400e-04
Coefficient D			2.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	304.91	J/mol×K	273.00	Calculated Property
Cp,gas	368.35	J/mol×K	353.78	Calculated Property
Cp,gas	425.98	J/mol×K	434.56	Calculated Property
Cp,gas	477.88	J/mol×K	515.33	Calculated Property
Cp,gas	524.15	J/mol×K	596.11	Calculated Property
Cp,gas	564.86	J/mol×K	676.89	Calculated Property
Cp,gas	600.10	J/mol×K	757.67	Calculated Property
Cp,gas	629.96	J/mol×K	838.44	Calculated Property
Cp,gas	654.51	J/mol×K	919.22	Calculated Property
Cp,gas	673.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058568; 0.0000626]	Pa×s	[355.48; 598.17]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.63284e+01
Coefficient B			3.97721e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			355.48
Temperature range, max.			598.17
η	0.0058568	Pa×s	355.48	Calculated Property
η	0.0026611	Pa×s	382.45	Calculated Property
η	0.0013415	Pa×s	409.41	Calculated Property
η	0.0007360	Pa×s	436.38	Calculated Property
η	0.0004330	Pa×s	463.34	Calculated Property
η	0.0002701	Pa×s	490.31	Calculated Property
η	0.0001770	Pa×s	517.27	Calculated Property
η	0.0001209	Pa×s	544.24	Calculated Property
η	0.0000856	Pa×s	571.20	Calculated Property
η	0.0000626	Pa×s	598.17	Calculated Property

Similar Compounds

Find more compounds similar to ENT-337.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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